3-[2-methyl-4-(oxan-2-yloxymethyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 3-[2-methyl-4-(oxan-2-yloxymethyl)pyrazol-3-yl]benzoic acid Openeye Name: 3-[2-methyl-4-(tetrahydropyran-2-yloxymethyl)pyrazol-3-yl]benzoic acid CAS Name: 3-[2-methyl-4-(2-oxanyloxymethyl)-3-pyrazolyl]benzoic acid IUPAC Name: 3-[2-methyl-4-(oxan-2-yloxymethyl)pyrazol-3-yl]benzoic acid Traditional Name: 3-[2-methyl-4-(tetrahydropyran-2-yloxymethyl)pyrazol-3-yl]benzoic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-19-16(12-5-4-6-13(9-12)17(20)21)14(10-18-19)11-23-15-7-2-3-8-22-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,20,21)